118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 660.83 | - |
Njupụta (buru amụma) | 1.24±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O[Si](C)(C)C(C)(C)C
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36 (24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Igodo InChi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Aha ndị ọzọ maka ihe a
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O- (4,4′- dimetoxytril) uridine.
Spectra dị
1H NMR
13C NMR
Hetero NMR
Mass
Ngwongwo dị |
Usoro ndu |
Chemical |
Njupụta |
Lipinski |
Ọdịdị metụtara |
Usoro ndu
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.21 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.20 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2.12 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.54 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 42500 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 2,33 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,33 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,33 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,33 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,33 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,33 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 2,32 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 2,23 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 44800 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.33 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.32 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.18 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.62 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 7.334±0.643 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 3.5 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.6 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 5.0 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.9 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-5 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 5.3 x 10-8 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 5.3 x 10-8 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.5 x 10-8 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.8 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 660.83 | ||
pKa | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Njupụta | 1.24±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 528.8± 5.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 13 | (1) ACD | |
H Ndị nnabata | 10 | (1) ACD | |
H Ndị na-enye onyinye | 2 | (1) ACD | |
H Donor/Anabata Nchikota | 12 | (1) ACD | |
logP | 7.334±0.643 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 660.83 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Mpaghara elu elu | 116 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR